⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL409596 | 0.75 | — | — | |
| SCHEMBL216231 | 0.75 | — | — | |
| SCHEMBL9142119 | 0.73 | — | — | |
| SCHEMBL7263423 | 0.73 | — | — | |
| SCHEMBL9299246 | 0.73 | — | — | |
| SCHEMBL29239349 | 0.73 | — | — | |
| SCHEMBL9705999 | 0.73 | — | — | |
| Fluoride SCHEMBL28807782 | 0.73 | — | — | |
| Xenon SCHEMBL14121552 | 0.69 | — | — | |
| SCHEMBL19883155 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2935513-B1 | LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2018-03-07 | — | — | EP | disclosed |